CID 87828817

(e)-1-butenesulfenate

Structural Information

Molecular Formula
C4H8OS
SMILES
CC/C=C/SO
InChI
InChI=1S/C4H8OS/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+
InChIKey
NGMITSIERXESJI-ONEGZZNKSA-N
Compound name
(E)-1-hydroxysulfanylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

104.02959 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 118.2
[M+Na]+ 127.01881 126.3
[M-H]- 103.02231 117.7
[M+NH4]+ 122.06341 141.4
[M+K]+ 142.99275 124.5
[M+H-H2O]+ 87.026850 114.3
[M+HCOO]- 149.02779 136.1
[M+CH3COO]- 163.04344 162.8
[M+Na-2H]- 125.00426 122.2
[M]+ 104.02904 119.6
[M]- 104.03014 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe